Publication Type
Journal
Journal Name
Physical Review Letters
Publication Date
Page Number
156105
Volume
97
Issue
15
Abstract
A key element of functionalizing nanocrystals with organic molecules is the non-templated selective adsorption of different molecules on different facets. Here we report scanning-tunneling-microscopy images of PTCDA and DMe-DCNQI on silver, demonstrating selective adsorption on different facets.
We also report first-principles calculations that account for the data and show that bonding, which controls selectivity, occurs via the end-atoms, while the molecule's mid-region arches away from the substrate. The results are also consistent with data that have been interpreted in terms of bonding
via the mid-region.